2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone

C17H15N5O2 — CID 154798156

IUPAC2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCOc4cccnc43)nn2)c1
InChIInChI=1S/C17H15N5O2/c1-12-4-2-5-13(10-12)22-11-14(19-20-22)17(23)21-8-9-24-15-6-3-7-18-16(15)21/h2-7,10-11H,8-9H2,1H3
InChIKeyISDGVBTVAFVBON-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.01
Rot. Bonds2

About 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone

2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 154798156) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID154798156
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCOc4cccnc43)nn2)c1
InChIInChI=1S/C17H15N5O2/c1-12-4-2-5-13(10-12)22-11-14(19-20-22)17(23)21-8-9-24-15-6-3-7-18-16(15)21/h2-7,10-11H,8-9H2,1H3
InChIKeyISDGVBTVAFVBON-UHFFFAOYSA-N
XLogP2.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone (CID 154798156) is 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone is Cc1cccc(-n2cc(C(=O)N3CCOc4cccnc43)nn2)c1.
What is the InChIKey of 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is ISDGVBTVAFVBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-12-4-2-5-13(10-12)22-11-14(19-20-22)17(23)21-8-9-24-15-6-3-7-18-16(15)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone?
2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 321.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 154798156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).